methyl 3-amino-4-cyano-1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)pyrrole-2-carboxylate

C20H16N6O3 — CID 168550226

IUPACmethyl 3-amino-4-cyano-1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1c(N)c(C#N)cn1-c1cc(-c2cn3cccnc3n2)ccc1OC
InChIInChI=1S/C20H16N6O3/c1-28-16-5-4-12(14-11-25-7-3-6-23-20(25)24-14)8-15(16)26-10-13(9-21)17(22)18(26)19(27)29-2/h3-8,10-11H,22H2,1-2H3
InChIKeyOPESTXQGLPCMOV-UHFFFAOYSA-N
MW388.39 g/mol
LogP2.44
Rot. Bonds4

About methyl 3-amino-4-cyano-1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)pyrrole-2-carboxylate

methyl 3-amino-4-cyano-1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)pyrrole-2-carboxylate (PubChem CID 168550226) has the molecular formula C20H16N6O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is methyl 3-amino-4-cyano-1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-cyano-1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)pyrrole-2-carboxylate
PubChem CID168550226
Molecular FormulaC20H16N6O3
Molecular Weight388.39 g/mol
Exact Mass388.13
IUPAC Namemethyl 3-amino-4-cyano-1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1c(N)c(C#N)cn1-c1cc(-c2cn3cccnc3n2)ccc1OC
InChIInChI=1S/C20H16N6O3/c1-28-16-5-4-12(14-11-25-7-3-6-23-20(25)24-14)8-15(16)26-10-13(9-21)17(22)18(26)19(27)29-2/h3-8,10-11H,22H2,1-2H3
InChIKeyOPESTXQGLPCMOV-UHFFFAOYSA-N
XLogP2.44
TPSA120.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 3-amino-4-cyano-1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)pyrrole-2-carboxylate with MolForge

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Related Compounds

methyl 3-amino-4-cyano-1-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrole-2-carboxylate
CID 168549645
methyl 3-amino-4-cyano-1-(4-pyrimidin-2-ylphenyl)pyrrole-2-carboxylate
CID 168546420
methyl 3-amino-4-cyano-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrole-2-carboxylate
CID 168546639
methyl 3-amino-4-cyano-1-(2,4-dimethoxyphenyl)pyrrole-2-carboxylate
CID 168550143
methyl 3-amino-4-cyano-1-[2-(pyridin-2-ylmethoxy)phenyl]pyrrole-2-carboxylate
CID 168547239
2-(3-bromo-4-methoxyphenyl)imidazo[1,2-a]pyrimidine
CID 696188
methyl 3-amino-4-cyano-1-(3-methoxyquinolin-8-yl)pyrrole-2-carboxylate
CID 168549161
methyl 3-amino-4-cyano-1-[3-(6-methoxy-2-pyridinyl)phenyl]pyrrole-2-carboxylate
CID 168547232
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide
CID 7080258
methyl 3-amino-4-cyano-1-[2-(4-fluorophenyl)phenyl]pyrrole-2-carboxylate
CID 168546760
methyl 3-amino-1-[5-carbamoyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-cyanopyrrole-2-carboxylate
CID 168547496
methyl 3-amino-4-cyano-1-(3-iodo-4-methoxyphenyl)pyrrole-2-carboxylate
CID 168545828

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-cyano-1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)pyrrole-2-carboxylate?
The IUPAC name of methyl 3-amino-4-cyano-1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)pyrrole-2-carboxylate (CID 168550226) is methyl 3-amino-4-cyano-1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-cyano-1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-cyano-1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)pyrrole-2-carboxylate is COC(=O)c1c(N)c(C#N)cn1-c1cc(-c2cn3cccnc3n2)ccc1OC.
What is the InChIKey of methyl 3-amino-4-cyano-1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)pyrrole-2-carboxylate?
The InChIKey is OPESTXQGLPCMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O3/c1-28-16-5-4-12(14-11-25-7-3-6-23-20(25)24-14)8-15(16)26-10-13(9-21)17(22)18(26)19(27)29-2/h3-8,10-11H,22H2,1-2H3.
What are the key properties of methyl 3-amino-4-cyano-1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)pyrrole-2-carboxylate?
methyl 3-amino-4-cyano-1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)pyrrole-2-carboxylate has a molecular weight of 388.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-cyano-1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)pyrrole-2-carboxylate is sourced from PubChem (CID 168550226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).